N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide

C20H19FN2O5S2 — CID 983012

IUPACN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C
InChIInChI=1S/C20H19FN2O5S2/c1-14-13-19(11-12-20(14)28-2)30(26,27)23-17-7-9-18(10-8-17)29(24,25)22-16-5-3-15(21)4-6-16/h3-13,22-23H,1-2H3
InChIKeyGVMSRCPZSDLJPT-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.74
Rot. Bonds7

About N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 983012) has the molecular formula C20H19FN2O5S2 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID983012
Molecular FormulaC20H19FN2O5S2
Molecular Weight450.51 g/mol
Exact Mass450.07
IUPAC NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C
InChIInChI=1S/C20H19FN2O5S2/c1-14-13-19(11-12-20(14)28-2)30(26,27)23-17-7-9-18(10-8-17)29(24,25)22-16-5-3-15(21)4-6-16/h3-13,22-23H,1-2H3
InChIKeyGVMSRCPZSDLJPT-UHFFFAOYSA-N
XLogP3.74
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide (CID 983012) is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is GVMSRCPZSDLJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5S2/c1-14-13-19(11-12-20(14)28-2)30(26,27)23-17-7-9-18(10-8-17)29(24,25)22-16-5-3-15(21)4-6-16/h3-13,22-23H,1-2H3.
What are the key properties of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 450.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 983012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).